BDBM220139 US9278925, V.4-b

SMILES: COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1

InChI Key: InChIKey=UGYATGYCVQZHQW-RWXRFDSASA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 220139   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 2 (Homo sapiens (Human))	BDBM220139 (US9278925, V.4-b) Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,3.2,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-4.75,1.23,;-3.42,2,;-2.09,1.23,;-2.09,-.31,;-3.42,-1.08,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-3-4-16(17-5-6-19(25)20(26)12-17)11-18(14)21-22(28)24(27-23(21)29)9-7-15(8-10-24)13-30-2/h3-6,11-12,15,28H,7-10,13H2,1-2H3,(H,27,29)/t15-,24+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Homo sapiens (Human))	BDBM220139 (US9278925, V.4-b) Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,3.2,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-4.75,1.23,;-3.42,2,;-2.09,1.23,;-2.09,-.31,;-3.42,-1.08,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-3-4-16(17-5-6-19(25)20(26)12-17)11-18(14)21-22(28)24(27-23(21)29)9-7-15(8-10-24)13-30-2/h3-6,11-12,15,28H,7-10,13H2,1-2H3,(H,27,29)/t15-,24+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair